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PubMed code 26708113

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142706
PNG
(CHEMBL3759622)
Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142747
PNG
(CHEMBL3758589)
Show SMILES CCOC(=O)c1c(CSc2c(C)cccc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C24H23NO3S/c1-4-28-24(27)21-18-12-20(26)16-10-5-6-11-17(16)22(18)25-19(21)13-29-23-14(2)8-7-9-15(23)3/h5-12,25-26H,4,13H2,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142751
PNG
(CHEMBL3759086)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3S/c1-2-27-22(26)20-15-11-18(25)13-7-3-4-8-14(13)21(15)24-17(20)12-28-19-10-6-5-9-16(19)23/h3-11,24-25H,2,12H2,1H3
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n/an/a 182n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142706
PNG
(CHEMBL3759622)
Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142688
PNG
(CHEMBL3759494)
Show SMILES CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C25H25NO3S/c1-5-29-25(28)22-19-12-21(27)17-8-6-7-9-18(17)23(19)26-20(22)13-30-24-15(3)10-14(2)11-16(24)4/h6-12,26-27H,5,13H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142689
PNG
(CHEMBL3759314)
Show SMILES CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-17-10-19(26)15-5-3-4-6-16(15)21(17)25-18(20)11-29-14-8-12(23)7-13(24)9-14/h3-10,25-26H,2,11H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142748
PNG
(CHEMBL3758897)
Show SMILES CCOC(=O)c1c(CSc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-15-10-19(26)13-5-3-4-6-14(13)21(15)25-18(20)11-29-12-7-8-16(23)17(24)9-12/h3-10,25-26H,2,11H2,1H3
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n/an/a 237n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142689
PNG
(CHEMBL3759314)
Show SMILES CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-17-10-19(26)15-5-3-4-6-16(15)21(17)25-18(20)11-29-14-8-12(23)7-13(24)9-14/h3-10,25-26H,2,11H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142750
PNG
(CHEMBL3759252)
Show SMILES CCOC(=O)c1c(CSc2ccccc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H21NO3S/c1-3-27-23(26)21-17-12-19(25)15-9-5-6-10-16(15)22(17)24-18(21)13-28-20-11-7-4-8-14(20)2/h4-12,24-25H,3,13H2,1-2H3
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n/an/a 255n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142752
PNG
(CHEMBL3759142)
Show SMILES CCOC(=O)c1c(CSc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3S/c1-2-27-22(26)20-17-11-19(25)15-8-3-4-9-16(15)21(17)24-18(20)12-28-14-7-5-6-13(23)10-14/h3-11,24-25H,2,12H2,1H3
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n/an/a 257n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142746
PNG
(CHEMBL3759807)
Show SMILES CCOC(=O)c1c(CSc2cc(C)cc(C)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C24H23NO3S/c1-4-28-24(27)22-19-12-21(26)17-7-5-6-8-18(17)23(19)25-20(22)13-29-16-10-14(2)9-15(3)11-16/h5-12,25-26H,4,13H2,1-3H3
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n/an/a 290n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142750
PNG
(CHEMBL3759252)
Show SMILES CCOC(=O)c1c(CSc2ccccc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H21NO3S/c1-3-27-23(26)21-17-12-19(25)15-9-5-6-10-16(15)22(17)24-18(21)13-28-20-11-7-4-8-14(20)2/h4-12,24-25H,3,13H2,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142688
PNG
(CHEMBL3759494)
Show SMILES CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C25H25NO3S/c1-5-29-25(28)22-19-12-21(27)17-8-6-7-9-18(17)23(19)26-20(22)13-30-24-15(3)10-14(2)11-16(24)4/h6-12,26-27H,5,13H2,1-4H3
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n/an/a 370n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142749
PNG
(CHEMBL3758401)
Show SMILES CCOC(=O)c1c(CSc2cccc(Cl)c2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-17(26)12-6-3-4-7-13(12)21(14)25-16(19)11-29-18-9-5-8-15(23)20(18)24/h3-10,25-26H,2,11H2,1H3
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n/an/a 657n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142751
PNG
(CHEMBL3759086)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3S/c1-2-27-22(26)20-15-11-18(25)13-7-3-4-8-14(13)21(15)24-17(20)12-28-19-10-6-5-9-16(19)23/h3-11,24-25H,2,12H2,1H3
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n/an/a 820n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142748
PNG
(CHEMBL3758897)
Show SMILES CCOC(=O)c1c(CSc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-15-10-19(26)13-5-3-4-6-14(13)21(15)25-18(20)11-29-12-7-8-16(23)17(24)9-12/h3-10,25-26H,2,11H2,1H3
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n/an/a 930n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142746
PNG
(CHEMBL3759807)
Show SMILES CCOC(=O)c1c(CSc2cc(C)cc(C)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C24H23NO3S/c1-4-28-24(27)22-19-12-21(26)17-7-5-6-8-18(17)23(19)25-20(22)13-29-16-10-14(2)9-15(3)11-16/h5-12,25-26H,4,13H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142747
PNG
(CHEMBL3758589)
Show SMILES CCOC(=O)c1c(CSc2c(C)cccc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C24H23NO3S/c1-4-28-24(27)21-18-12-20(26)16-10-5-6-11-17(16)22(18)25-19(21)13-29-23-14(2)8-7-9-15(23)3/h5-12,25-26H,4,13H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142749
PNG
(CHEMBL3758401)
Show SMILES CCOC(=O)c1c(CSc2cccc(Cl)c2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-17(26)12-6-3-4-7-13(12)21(14)25-16(19)11-29-18-9-5-8-15(23)20(18)24/h3-10,25-26H,2,11H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142752
PNG
(CHEMBL3759142)
Show SMILES CCOC(=O)c1c(CSc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3S/c1-2-27-22(26)20-17-11-19(25)15-8-3-4-9-16(15)21(17)24-18(20)12-28-14-7-5-6-13(23)10-14/h3-11,24-25H,2,12H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142745
PNG
(CHEMBL3759141)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OC)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3S/c1-3-28-23(26)21-16-12-19(27-2)14-8-4-5-9-15(14)22(16)25-18(21)13-29-20-11-7-6-10-17(20)24/h4-12,25H,3,13H2,1-2H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142710
PNG
(CHEMBL3760012)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OCC)c1ccccc21
Show InChI InChI=1S/C24H22ClNO3S/c1-3-28-20-13-17-22(24(27)29-4-2)19(14-30-21-12-8-7-11-18(21)25)26-23(17)16-10-6-5-9-15(16)20/h5-13,26H,3-4,14H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50142706
PNG
(CHEMBL3759622)
Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of IL-1beta-activated m-PGES-1 in microsome of human A549 cells assessed as PGE2 formation preincubated for 15 mins followed by PGH2 addit...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142745
PNG
(CHEMBL3759141)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OC)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3S/c1-3-28-23(26)21-16-12-19(27-2)14-8-4-5-9-15(14)22(16)25-18(21)13-29-20-11-7-6-10-17(20)24/h4-12,25H,3,13H2,1-2H3
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n/an/a 1.74E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50142688
PNG
(CHEMBL3759494)
Show SMILES CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C25H25NO3S/c1-5-29-25(28)22-19-12-21(27)17-8-6-7-9-18(17)23(19)26-20(22)13-30-24-15(3)10-14(2)11-16(24)4/h6-12,26-27H,5,13H2,1-4H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of IL-1beta-activated m-PGES-1 in microsome of human A549 cells assessed as PGE2 formation preincubated for 15 mins followed by PGH2 addit...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142710
PNG
(CHEMBL3760012)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OCC)c1ccccc21
Show InChI InChI=1S/C24H22ClNO3S/c1-3-28-20-13-17-22(24(27)29-4-2)19(14-30-21-12-8-7-11-18(21)25)26-23(17)16-10-6-5-9-15(16)20/h5-13,26H,3-4,14H2,1-2H3
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n/an/a 2.04E+3n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142707
PNG
(CHEMBL3759148)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3S/c1-3-28-23(27)21-16-12-19(26)14-8-4-5-9-15(14)22(16)25(2)18(21)13-29-20-11-7-6-10-17(20)24/h4-12,26H,3,13H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142712
PNG
(CHEMBL3758769)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(OC)c1ccccc21
Show InChI InChI=1S/C24H22ClNO3S/c1-4-29-24(27)22-17-13-20(28-3)15-9-5-6-10-16(15)23(17)26(2)19(22)14-30-21-12-8-7-11-18(21)25/h5-13H,4,14H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142712
PNG
(CHEMBL3758769)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(OC)c1ccccc21
Show InChI InChI=1S/C24H22ClNO3S/c1-4-29-24(27)22-17-13-20(28-3)15-9-5-6-10-16(15)23(17)26(2)19(22)14-30-21-12-8-7-11-18(21)25/h5-13H,4,14H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142708
PNG
(CHEMBL3760011)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)n(CC)c2c1cc(OCC)c1ccccc21
Show InChI InChI=1S/C26H26ClNO3S/c1-4-28-21(16-32-23-14-10-9-13-20(23)27)24(26(29)31-6-3)19-15-22(30-5-2)17-11-7-8-12-18(17)25(19)28/h7-15H,4-6,16H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142708
PNG
(CHEMBL3760011)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)n(CC)c2c1cc(OCC)c1ccccc21
Show InChI InChI=1S/C26H26ClNO3S/c1-4-28-21(16-32-23-14-10-9-13-20(23)27)24(26(29)31-6-3)19-15-22(30-5-2)17-11-7-8-12-18(17)25(19)28/h7-15H,4-6,16H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50142707
PNG
(CHEMBL3759148)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3S/c1-3-28-23(27)21-16-12-19(26)14-8-4-5-9-15(14)22(16)25(2)18(21)13-29-20-11-7-6-10-17(20)24/h4-12,26H,3,13H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50142689
PNG
(CHEMBL3759314)
Show SMILES CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-17-10-19(26)15-5-3-4-6-16(15)21(17)25-18(20)11-29-14-8-12(23)7-13(24)9-14/h3-10,25-26H,2,11H2,1H3
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n/an/a 1.38E+4n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of IL-1beta-activated m-PGES-1 in microsome of human A549 cells assessed as PGE2 formation preincubated for 15 mins followed by PGH2 addit...

Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%